5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine

C16H18N2 — CID 11287869

IUPAC5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(-c3ccccn3)cc21
InChIInChI=1S/C16H18N2/c1-12-11-17-9-7-13-5-6-14(10-15(12)13)16-4-2-3-8-18-16/h2-6,8,10,12,17H,7,9,11H2,1H3
InChIKeyIUWCSLNGFLRIJB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.00
Rot. Bonds1

About 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine

5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 11287869) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID11287869
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(-c3ccccn3)cc21
InChIInChI=1S/C16H18N2/c1-12-11-17-9-7-13-5-6-14(10-15(12)13)16-4-2-3-8-18-16/h2-6,8,10,12,17H,7,9,11H2,1H3
InChIKeyIUWCSLNGFLRIJB-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 11287869) is 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine is CC1CNCCc2ccc(-c3ccccn3)cc21.
What is the InChIKey of 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is IUWCSLNGFLRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-11-17-9-7-13-5-6-14(10-15(12)13)16-4-2-3-8-18-16/h2-6,8,10,12,17H,7,9,11H2,1H3.
What are the key properties of 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine?
5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 238.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 11287869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).